From: <bao...@us...> - 2006-11-29 20:13:38
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Revision: 430 http://svn.sourceforge.net/cclib/?rev=430&view=rev Author: baoilleach Date: 2006-11-29 12:13:36 -0800 (Wed, 29 Nov 2006) Log Message: ----------- (1) Adding new data to test the ability of GAMESS parser to handle linear molecules (2) GAMESS parser now removes rotations and translations (3) Added new tests to testvib.py for various vibration attributes. Note to self: add test to make sure we're all using the same units. Modified Paths: -------------- trunk/src/cclib/parser/gamessparser.py trunk/test/testvib.py Added Paths: ----------- trunk/data/GAMESS/basicPCGAMESS/CN_ir.in trunk/data/GAMESS/basicPCGAMESS/CN_ir.out This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |